#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d2b n THR 2 N 0.00 3.78 -3.38 0.00 -2.24 -1.24 -1.19 114.28 110.01 1d2b n THR 2 Ca 0.00 -3.61 -0.03 0.00 -2.27 0.00 0.00 64.05 58.13 1d2b n THR 2 Cb 0.00 -2.50 0.00 0.00 -2.10 0.00 0.00 70.33 65.73 1d2b n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d2b s VAL 4 N -0.10 4.35 -0.41 0.00 -7.23 -1.26 -4.58 120.40 111.16 1d2b s VAL 4 Ca 0.06 -0.94 -0.36 0.00 -1.81 0.00 0.00 61.98 58.92 1d2b s VAL 4 Cb -0.00 -3.52 -0.16 0.00 0.56 0.00 0.00 36.38 33.26 1d2b s VAL 4 CO 0.04 -0.22 1.75 -2.65 -0.31 0.00 0.00 175.10 173.71 1d2b n PRO 5 N -1.63 0.00 -3.51 4.82 -0.02 -1.26 -4.90 135.00 128.50 1d2b n PRO 5 Ca -0.02 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.09 1d2b n PRO 5 Cb 0.58 -1.23 -0.07 0.00 -0.02 0.00 0.00 33.50 32.76 1d2b n PRO 5 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1d2b s PRO 6 N 4.92 4.26 -0.09 0.52 0.04 -1.26 -5.00 135.00 138.39 1d2b s PRO 6 Ca 0.98 0.12 -0.19 0.00 0.04 0.00 0.00 61.00 61.95 1d2b s PRO 6 Cb -1.22 -3.44 -0.09 0.00 0.04 0.00 0.00 34.50 29.79 1d2b s PRO 6 CO 0.54 0.20 0.57 0.72 0.04 0.00 0.00 177.00 179.07 1d2b n HIS 7 N 3.68 0.48 0.30 0.56 8.25 -1.26 -4.51 115.22 122.72 1d2b n HIS 7 Ca -0.11 0.49 0.18 0.00 -0.26 0.00 0.00 57.72 58.02 1d2b n HIS 7 Cb 0.52 -0.95 0.80 0.00 1.12 0.00 0.00 29.99 31.47 1d2b n HIS 7 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1d2b h PRO 8 N 1.68 0.00 -0.12 -0.41 0.13 -1.87 0.45 132.00 131.86 1d2b h PRO 8 Ca -0.22 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.84 1d2b h PRO 8 Cb 0.63 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 1d2b h PRO 8 CO 0.35 0.00 -0.27 -0.56 -0.23 0.00 0.00 178.00 177.29 1d2b h GLN 9 N 0.00 0.22 0.06 0.86 -0.00 0.59 0.54 115.11 117.37 1d2b h GLN 9 Ca 0.00 -0.07 -0.34 0.00 -0.00 0.00 0.00 58.65 58.24 1d2b h GLN 9 Cb 0.36 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.48 27.79 1d2b h GLN 9 CO 0.00 0.48 -1.90 2.41 -0.00 0.00 0.00 178.83 179.82 1d2b n THR 10 N -4.15 1.65 0.06 1.86 -1.04 -0.42 -3.55 114.28 108.67 1d2b n THR 10 Ca -0.01 -0.43 0.07 0.00 -2.04 0.00 0.00 64.05 61.63 1d2b n THR 10 Cb 0.37 -1.80 0.50 0.00 -1.82 0.00 0.00 70.33 67.58 1d2b n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1d2b h ALA 11 N -0.21 1.85 0.08 2.41 0.00 -0.03 0.27 119.26 123.63 1d2b h ALA 11 Ca -0.45 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1d2b h ALA 11 Cb 1.76 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1d2b h ALA 11 CO -0.07 0.12 -0.04 0.35 0.00 0.00 0.00 179.25 179.61 1d2b h PHE 12 N 0.38 -0.10 0.00 0.00 3.57 -0.10 -3.24 116.94 117.44 1d2b h PHE 12 Ca 0.13 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1d2b h PHE 12 Cb 0.06 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1d2b h PHE 12 CO -0.00 -0.06 0.00 0.00 -2.23 0.00 0.00 178.31 176.02 1d2b n ASN 14 N -1.87 0.71 -3.21 0.00 3.02 0.95 -4.99 115.26 109.87 1d2b n ASN 14 Ca 0.04 -0.08 -0.21 0.00 -0.03 0.00 0.00 54.58 54.31 1d2b n ASN 14 Cb 0.26 1.79 0.18 0.00 -0.61 0.00 0.00 39.78 41.40 1d2b n ASN 14 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1d2b n SER 15 N -2.10 -2.18 0.00 6.41 2.88 -1.20 -4.99 113.62 112.45 1d2b n SER 15 Ca -0.03 -0.88 0.00 0.00 -1.33 0.00 0.00 58.87 56.63 1d2b n SER 15 Cb 0.47 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 1d2b n SER 15 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1d2b n ASP 16 N -4.45 0.41 -3.43 -3.46 8.00 -1.24 -4.89 116.55 107.49 1d2b n ASP 16 Ca 0.10 -1.04 0.01 0.00 0.71 0.00 0.00 54.79 54.58 1d2b n ASP 16 Cb 0.41 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.48 1d2b n ASP 16 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1d2b s LEU 17 N -0.04 -1.22 -0.17 0.64 1.43 0.62 -4.38 118.68 115.56 1d2b s LEU 17 Ca 0.00 1.25 -0.02 0.00 -1.03 0.00 0.00 54.13 54.33 1d2b s LEU 17 Cb 0.00 2.22 0.05 0.00 0.03 0.00 0.00 46.19 48.49 1d2b s LEU 17 CO 0.00 -0.23 0.00 -0.69 0.23 0.00 0.00 176.35 175.66 1d2b s VAL 18 N 2.87 0.70 0.18 -1.59 1.01 -0.49 0.20 120.40 123.29 1d2b s VAL 18 Ca 0.05 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.33 1d2b s VAL 18 Cb -0.13 -1.06 0.04 0.00 0.00 0.00 0.00 36.38 35.23 1d2b s VAL 18 CO -0.20 -0.05 0.54 0.27 0.00 0.00 0.00 175.10 175.66 1d2b s ILE 19 N 1.79 0.02 -0.16 2.22 -0.00 0.60 0.57 121.20 126.25 1d2b s ILE 19 Ca 0.00 -0.53 -0.07 0.00 -0.00 0.00 0.00 60.65 60.05 1d2b s ILE 19 Cb -0.16 -1.36 -0.04 0.00 -0.00 0.00 0.00 42.46 40.90 1d2b s ILE 19 CO -0.07 -0.11 0.07 0.00 -0.00 0.00 0.00 174.94 174.82 1d2b s ARG 20 N -3.83 3.78 0.35 0.37 3.03 -0.02 0.10 118.95 122.73 1d2b s ARG 20 Ca 0.06 -0.32 -0.15 0.00 2.03 0.00 0.00 55.73 57.36 1d2b s ARG 20 Cb -0.01 -3.16 0.04 0.00 -1.03 0.00 0.00 34.95 30.79 1d2b s ARG 20 CO -0.07 0.41 0.71 0.00 -1.13 0.00 0.00 175.30 175.22 1d2b s ALA 21 N -0.00 -0.57 0.02 7.88 0.00 -0.92 -0.39 121.76 127.77 1d2b s ALA 21 Ca 0.06 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.29 1d2b s ALA 21 Cb -0.12 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 1d2b s ALA 21 CO 0.01 -0.96 -0.14 0.15 0.00 0.00 0.00 175.76 174.82 1d2b s LYS 22 N -2.83 2.27 -0.29 0.00 1.02 -0.17 0.18 119.74 119.93 1d2b s LYS 22 Ca 0.17 -0.87 -0.17 0.00 0.02 0.00 0.00 55.97 55.12 1d2b s LYS 22 Cb -0.04 -2.30 -0.02 0.00 -0.52 0.00 0.00 37.83 34.94 1d2b s LYS 22 CO 0.12 0.57 0.48 -0.06 -0.92 0.00 0.00 175.35 175.54 1d2b s PHE 23 N -0.92 3.24 -0.30 3.18 0.08 -1.26 0.36 117.98 122.37 1d2b s PHE 23 Ca 0.15 0.46 0.19 0.00 0.12 0.00 0.00 56.93 57.84 1d2b s PHE 23 Cb -0.11 -2.75 0.48 0.00 -0.57 0.00 0.00 43.02 40.08 1d2b s PHE 23 CO 0.05 -0.34 1.04 1.33 -0.10 0.00 0.00 175.22 177.20 1d2b n VAL 24 N 5.23 1.28 -3.61 -0.44 0.24 -0.68 -3.87 118.33 116.47 1d2b n VAL 24 Ca -0.05 -3.16 -0.05 0.00 -2.04 0.00 0.00 64.34 59.03 1d2b n VAL 24 Cb 0.50 0.74 -0.02 0.00 -1.47 0.00 0.00 33.84 33.59 1d2b n VAL 24 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1d2b s GLY 25 N -3.47 -0.37 0.16 7.63 0.00 0.13 -4.59 107.32 106.81 1d2b s GLY 25 Ca 0.30 0.76 0.03 0.00 0.00 0.00 0.00 44.72 45.80 1d2b s GLY 25 CO -0.01 0.23 0.28 -1.08 0.00 0.00 0.00 173.10 172.52 1d2b s THR 26 N -3.03 5.24 -0.20 0.90 -1.32 -1.26 -4.13 115.64 111.84 1d2b s THR 26 Ca 0.09 -0.75 -0.29 0.00 -1.21 0.00 0.00 61.69 59.53 1d2b s THR 26 Cb -0.01 -3.71 -0.01 0.00 -1.51 0.00 0.00 72.50 67.27 1d2b s THR 26 CO -0.04 -0.11 1.27 -2.16 -2.21 0.00 0.00 174.62 171.37 1d2b s PRO 27 N -3.28 4.15 -0.40 7.08 0.04 -1.25 -4.19 135.00 137.15 1d2b s PRO 27 Ca 0.34 1.55 -0.20 0.00 0.04 0.00 0.00 61.00 62.73 1d2b s PRO 27 Cb -0.11 -3.80 0.01 0.00 0.04 0.00 0.00 34.50 30.65 1d2b s PRO 27 CO 0.28 -0.82 0.63 -1.21 0.04 0.00 0.00 177.00 175.92 1d2b s GLU 28 N 3.68 3.48 -0.54 4.56 2.02 0.13 -4.89 118.70 127.13 1d2b s GLU 28 Ca 0.55 -0.17 -0.09 0.00 0.02 0.00 0.00 54.97 55.28 1d2b s GLU 28 Cb -0.20 -3.88 0.14 0.00 0.10 0.00 0.00 34.13 30.29 1d2b s GLU 28 CO 0.17 -0.87 0.42 0.08 0.02 0.00 0.00 175.26 175.08 1d2b s VAL 29 N 2.74 4.35 0.59 2.63 1.01 -1.26 -2.33 120.40 128.13 1d2b s VAL 29 Ca 0.23 -2.04 -0.16 0.00 0.00 0.00 0.00 61.98 60.01 1d2b s VAL 29 Cb -0.14 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1d2b s VAL 29 CO 0.17 -0.83 1.06 0.21 0.00 0.00 0.00 175.10 175.71 1d2b s ASN 30 N 2.35 5.80 0.00 3.32 2.47 -1.26 -4.92 114.94 122.70 1d2b s ASN 30 Ca 0.09 1.81 0.29 0.00 0.42 0.00 0.00 52.86 55.47 1d2b s ASN 30 Cb -0.23 -2.53 1.20 0.00 -1.45 0.00 0.00 41.25 38.23 1d2b s ASN 30 CO -0.02 -1.15 1.88 0.00 -3.72 0.00 0.00 177.10 174.08 1d2b n GLN 31 N -2.02 0.20 -2.48 0.43 1.13 -1.26 -3.93 117.38 109.46 1d2b n GLN 31 Ca 0.09 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 1d2b n GLN 31 Cb 0.53 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.43 1d2b n GLN 31 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1d2b n THR 32 N -1.37 0.78 -0.10 5.09 -1.04 -1.26 -4.85 114.28 111.54 1d2b n THR 32 Ca 0.10 -2.13 -0.21 0.00 -2.04 0.00 0.00 64.05 59.76 1d2b n THR 32 Cb 0.31 1.17 -0.07 0.00 -1.82 0.00 0.00 70.33 69.91 1d2b n THR 32 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1d2b n THR 33 N -0.51 1.18 0.00 12.58 5.66 -1.25 -4.98 114.28 126.96 1d2b n THR 33 Ca 0.01 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 1d2b n THR 33 Cb 0.87 -1.82 0.00 0.00 -1.55 0.00 0.00 70.33 67.83 1d2b n THR 33 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1d2b n LEU 34 N -3.97 0.00 -4.18 1.09 4.77 -1.26 -4.90 117.00 108.56 1d2b n LEU 34 Ca -0.38 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.47 1d2b n LEU 34 Cb 0.75 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.75 1d2b n LEU 34 CO 0.04 0.00 -0.13 -0.72 -1.33 0.00 0.00 177.39 175.25 1d2b s TYR 35 N -2.39 1.13 0.04 -1.77 1.13 -1.26 0.81 117.35 115.05 1d2b s TYR 35 Ca 0.00 -1.32 -0.00 0.00 -1.41 0.00 0.00 57.07 54.34 1d2b s TYR 35 Cb 0.00 -0.44 -0.03 0.00 -1.10 0.00 0.00 41.96 40.39 1d2b s TYR 35 CO 0.00 -0.77 -0.03 -0.65 -2.51 0.00 0.00 175.55 171.59 1d2b s GLN 36 N -3.95 0.53 0.20 -3.49 -0.21 0.49 -4.15 119.66 109.08 1d2b s GLN 36 Ca 0.36 -1.01 0.10 0.00 0.02 0.00 0.00 55.36 54.83 1d2b s GLN 36 Cb 0.05 0.13 -0.04 0.00 1.00 0.00 0.00 33.01 34.14 1d2b s GLN 36 CO 0.15 -0.08 -0.20 -0.98 -2.12 0.00 0.00 175.29 172.06 1d2b s ARG 37 N -3.02 1.43 0.05 2.91 1.70 -0.99 -0.80 118.95 120.24 1d2b s ARG 37 Ca -0.01 -1.54 0.02 0.00 -0.47 0.00 0.00 55.73 53.74 1d2b s ARG 37 Cb 0.01 -1.53 -0.03 0.00 -0.57 0.00 0.00 34.95 32.84 1d2b s ARG 37 CO -0.06 0.31 -0.08 0.71 -1.08 0.00 0.00 175.30 175.10 1d2b s TYR 38 N -2.16 0.72 -0.12 5.89 1.51 -0.76 0.20 117.35 122.62 1d2b s TYR 38 Ca 0.21 -0.59 -0.06 0.00 -1.01 0.00 0.00 57.07 55.61 1d2b s TYR 38 Cb -0.05 -0.43 -0.04 0.00 -0.11 0.00 0.00 41.96 41.32 1d2b s TYR 38 CO 0.09 -0.10 0.11 -1.21 -1.11 0.00 0.00 175.55 173.33 1d2b s GLU 39 N -2.08 3.45 0.42 -0.62 2.02 -1.26 -1.72 118.70 118.91 1d2b s GLU 39 Ca -0.05 -0.21 0.03 0.00 0.02 0.00 0.00 54.97 54.76 1d2b s GLU 39 Cb -0.07 -3.13 -0.02 0.00 0.10 0.00 0.00 34.13 31.01 1d2b s GLU 39 CO -0.01 0.69 0.11 0.96 0.02 0.00 0.00 175.26 177.03 1d2b s ILE 40 N -0.78 0.70 -0.77 -1.63 -4.36 -1.04 -0.69 121.20 112.62 1d2b s ILE 40 Ca 0.13 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.54 1d2b s ILE 40 Cb -0.12 -2.34 0.19 0.00 1.25 0.00 0.00 42.46 41.44 1d2b s ILE 40 CO 0.03 0.00 0.60 -0.75 0.24 0.00 0.00 174.94 175.06 1d2b s LYS 41 N -3.74 2.79 -0.19 0.37 2.36 1.15 -4.62 119.74 117.87 1d2b s LYS 41 Ca 0.22 -3.24 -0.34 0.00 -2.55 0.00 0.00 55.97 50.06 1d2b s LYS 41 Cb 0.03 -3.66 -0.11 0.00 -1.05 0.00 0.00 37.83 33.04 1d2b s LYS 41 CO 0.13 -1.26 2.01 -0.12 1.55 0.00 0.00 175.35 177.66 1d2b n MET 42 N 2.26 1.81 -0.03 4.03 0.00 -1.26 -0.99 117.12 122.93 1d2b n MET 42 Ca 0.19 0.61 -0.00 0.00 -0.00 0.00 0.00 57.70 58.49 1d2b n MET 42 Cb 0.36 -2.67 -0.00 0.00 0.00 0.00 0.00 33.22 30.90 1d2b n MET 42 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1d2b h THR 43 N 6.16 0.00 -2.79 1.12 2.02 -1.05 -3.48 112.91 114.90 1d2b h THR 43 Ca -0.42 -0.50 -0.11 0.00 0.77 0.00 0.00 66.41 66.15 1d2b h THR 43 Cb 1.28 0.00 -0.21 0.00 -1.74 0.00 0.00 68.15 67.48 1d2b h THR 43 CO 0.97 0.00 -0.20 -0.54 0.37 0.00 0.00 175.52 176.12 1d2b s LYS 44 N -1.34 0.65 -0.12 6.66 1.02 -0.09 -5.01 119.74 121.51 1d2b s LYS 44 Ca -0.01 0.15 -0.12 0.00 0.02 0.00 0.00 55.97 56.00 1d2b s LYS 44 Cb 0.00 0.30 -0.05 0.00 -0.52 0.00 0.00 37.83 37.57 1d2b s LYS 44 CO 0.02 -0.16 0.28 0.00 -0.92 0.00 0.00 175.35 174.57 1d2b s MET 45 N -0.75 4.00 -0.11 1.68 0.23 -1.26 -0.84 119.30 122.25 1d2b s MET 45 Ca -0.08 0.11 0.16 0.00 -1.03 0.00 0.00 55.69 54.84 1d2b s MET 45 Cb -0.04 -3.33 0.24 0.00 -1.53 0.00 0.00 34.83 30.17 1d2b s MET 45 CO 0.04 0.46 1.12 0.66 -2.03 0.00 0.00 175.02 175.27 1d2b n TYR 46 N 2.82 0.00 0.00 3.16 4.02 0.19 -4.96 117.16 122.40 1d2b n TYR 46 Ca -0.14 -0.88 0.00 0.00 -0.01 0.00 0.00 57.90 56.86 1d2b n TYR 46 Cb 0.53 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.72 1d2b n TYR 46 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1d2b n LYS 47 N -1.24 0.00 0.00 -0.72 0.00 -0.01 -4.75 118.16 111.43 1d2b n LYS 47 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.44 1d2b n LYS 47 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.62 1d2b n LYS 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1d2b n GLY 48 N 0.00 -0.07 0.00 3.14 0.00 -1.26 -1.40 105.19 105.60 1d2b n GLY 48 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1d2b n GLY 48 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1d2b n PHE 49 N 0.00 0.00 -0.07 1.61 3.01 -1.26 0.63 117.46 121.39 1d2b n PHE 49 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.41 1d2b n PHE 49 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 1d2b n PHE 49 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1d2b n GLN 50 N -0.53 0.41 -0.28 -1.08 7.27 -1.26 -4.02 117.38 117.90 1d2b n GLN 50 Ca 0.01 0.40 0.03 0.00 0.07 0.00 0.00 57.00 57.51 1d2b n GLN 50 Cb 0.01 -1.49 0.17 0.00 2.41 0.00 0.00 30.24 31.33 1d2b n GLN 50 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1d2b h ALA 51 N -1.13 1.14 -3.00 1.69 0.00 -1.75 -3.44 119.26 112.78 1d2b h ALA 51 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1d2b h ALA 51 Cb 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1d2b h ALA 51 CO 0.00 0.03 0.00 -0.11 0.00 0.00 0.00 179.25 179.17 1d2b n LEU 52 N -4.80 0.00 -0.04 0.00 -0.00 0.21 -5.09 117.00 107.28 1d2b n LEU 52 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 1d2b n LEU 52 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.72 1d2b n LEU 52 CO 0.25 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.25 1d2b n GLY 53 N 0.28 1.33 0.00 -3.96 0.00 -1.09 -4.61 105.19 97.15 1d2b n GLY 53 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1d2b n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1d2b n ASP 54 N 0.64 0.00 0.00 1.61 9.92 -1.26 -4.91 116.55 122.56 1d2b n ASP 54 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1d2b n ASP 54 Cb 0.17 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.65 1d2b n ASP 54 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1d2b n ALA 55 N -2.92 0.87 -3.56 2.24 0.00 -1.26 -5.00 120.51 110.87 1d2b n ALA 55 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1d2b n ALA 55 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1d2b n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d2b n ALA 56 N -0.95 3.92 -0.38 0.00 0.00 -1.26 -4.81 120.51 117.02 1d2b n ALA 56 Ca 0.00 -4.70 0.12 0.00 0.00 0.00 0.00 53.44 48.86 1d2b n ALA 56 Cb 0.00 -1.07 0.33 0.00 0.00 0.00 0.00 19.45 18.71 1d2b n ALA 56 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1d2b n ASP 57 N 1.30 4.05 -3.68 0.00 5.75 -1.26 -4.86 116.55 117.84 1d2b n ASP 57 Ca 0.26 -2.05 -0.10 0.00 -0.01 0.00 0.00 54.79 52.89 1d2b n ASP 57 Cb 0.38 -0.50 -0.11 0.00 -1.03 0.00 0.00 41.12 39.86 1d2b n ASP 57 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1d2b s ILE 58 N -1.10 -0.21 0.00 2.12 1.09 -1.26 -4.91 121.20 116.93 1d2b s ILE 58 Ca 0.50 0.12 0.00 0.00 -1.10 0.00 0.00 60.65 60.17 1d2b s ILE 58 Cb 0.27 -0.62 0.00 0.00 -1.06 0.00 0.00 42.46 41.05 1d2b s ILE 58 CO 0.33 0.05 0.00 0.54 -0.10 0.00 0.00 174.94 175.76 1d2b n ARG 59 N 4.61 0.40 -3.72 2.79 1.74 -1.26 -4.64 116.66 116.58 1d2b n ARG 59 Ca -0.19 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.76 1d2b n ARG 59 Cb 0.53 -0.30 -0.08 0.00 -1.02 0.00 0.00 32.46 31.59 1d2b n ARG 59 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1d2b s PHE 60 N -0.89 -0.22 -0.20 -1.55 0.40 -1.26 -2.51 117.98 111.75 1d2b s PHE 60 Ca 0.00 0.26 -0.03 0.00 -0.60 0.00 0.00 56.93 56.56 1d2b s PHE 60 Cb 0.00 0.14 -0.01 0.00 0.51 0.00 0.00 43.02 43.67 1d2b s PHE 60 CO 0.00 -0.47 -0.08 0.14 0.70 0.00 0.00 175.22 175.52 1d2b s VAL 61 N -1.82 3.16 -0.41 -0.44 -7.23 -0.70 -3.88 120.40 109.08 1d2b s VAL 61 Ca -0.10 -0.57 -0.10 0.00 -1.81 0.00 0.00 61.98 59.40 1d2b s VAL 61 Cb -0.03 -2.41 0.06 0.00 0.56 0.00 0.00 36.38 34.56 1d2b s VAL 61 CO 0.02 0.45 0.26 -0.31 -0.31 0.00 0.00 175.10 175.21 1d2b s TYR 62 N 1.29 3.30 -0.10 2.82 1.51 0.17 -1.84 117.35 124.50 1d2b s TYR 62 Ca 0.03 -1.33 0.01 0.00 -1.01 0.00 0.00 57.07 54.78 1d2b s TYR 62 Cb -0.14 -2.83 -0.02 0.00 -0.11 0.00 0.00 41.96 38.86 1d2b s TYR 62 CO -0.03 -0.79 -0.15 -0.08 -1.11 0.00 0.00 175.55 173.38 1d2b s THR 63 N 1.48 2.91 0.36 -0.71 -1.32 0.02 -3.03 115.64 115.35 1d2b s THR 63 Ca 0.03 -0.73 -0.25 0.00 -1.21 0.00 0.00 61.69 59.52 1d2b s THR 63 Cb -0.22 -2.18 -0.13 0.00 -1.51 0.00 0.00 72.50 68.46 1d2b s THR 63 CO 0.04 0.55 0.87 -2.65 -2.21 0.00 0.00 174.62 171.21 1d2b n PRO 64 N 3.21 1.08 -3.11 7.08 -0.02 -1.26 0.18 135.00 142.16 1d2b n PRO 64 Ca -0.18 0.39 -0.39 0.00 -2.02 0.00 0.00 63.50 61.29 1d2b n PRO 64 Cb 0.53 -1.78 -0.01 0.00 -0.02 0.00 0.00 33.50 32.22 1d2b n PRO 64 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1d2b n ALA 65 N -0.29 4.90 -2.54 3.55 0.00 4.42 -2.66 120.51 127.90 1d2b n ALA 65 Ca 0.10 -4.80 -0.12 0.00 0.00 0.00 0.00 53.44 48.62 1d2b n ALA 65 Cb 0.36 -2.02 -0.08 0.00 0.00 0.00 0.00 19.45 17.71 1d2b n ALA 65 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1d2b s MET 66 N -2.68 1.44 -0.06 0.00 -1.94 -1.25 -4.37 119.30 110.44 1d2b s MET 66 Ca 0.33 -1.60 -0.00 0.00 -1.71 0.00 0.00 55.69 52.71 1d2b s MET 66 Cb 0.07 0.35 -0.00 0.00 2.01 0.00 0.00 34.83 37.25 1d2b s MET 66 CO 0.07 -0.53 -0.00 1.05 -0.01 0.00 0.00 175.02 175.60 1d2b h GLU 67 N 2.41 0.00 0.00 2.03 4.11 -1.95 -3.35 114.58 117.83 1d2b h GLU 67 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 1d2b h GLU 67 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1d2b h GLU 67 CO 0.45 0.00 0.00 0.43 0.07 0.00 0.00 179.01 179.96 1d2b n SER 68 N -3.58 0.02 -3.63 3.06 7.64 -1.26 -4.71 113.62 111.16 1d2b n SER 68 Ca -0.00 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1d2b n SER 68 Cb 0.00 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 1d2b n SER 68 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1d2b n VAL 69 N -1.52 0.00 0.00 0.44 3.14 -1.26 -2.27 118.33 116.86 1d2b n VAL 69 Ca 0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 1d2b n VAL 69 Cb 0.19 -0.17 0.00 0.00 -1.06 0.00 0.00 33.84 32.80 1d2b n VAL 69 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1d2b n GLY 71 N 1.74 -1.06 3.56 0.00 0.00 -1.09 -4.56 105.19 103.78 1d2b n GLY 71 Ca 0.00 0.51 -0.31 0.00 0.00 0.00 0.00 46.02 46.22 1d2b n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1d2b s TYR 72 N -2.75 1.76 -0.34 1.61 5.04 -1.26 -4.74 117.35 116.66 1d2b s TYR 72 Ca 0.06 0.67 -0.28 0.00 -2.44 0.00 0.00 57.07 55.08 1d2b s TYR 72 Cb -0.02 -4.06 -0.01 0.00 0.35 0.00 0.00 41.96 38.22 1d2b s TYR 72 CO 0.57 -1.94 1.74 -0.06 -1.34 0.00 0.00 175.55 174.52 1d2b s PHE 73 N 9.71 1.90 -0.23 4.97 0.40 -1.26 -4.96 117.98 128.51 1d2b s PHE 73 Ca 0.69 0.63 -0.04 0.00 -0.60 0.00 0.00 56.93 57.61 1d2b s PHE 73 Cb -0.09 -4.16 -0.00 0.00 0.51 0.00 0.00 43.02 39.28 1d2b s PHE 73 CO 0.06 -2.81 -0.03 -1.58 0.70 0.00 0.00 175.22 171.56 1d2b s HIS 74 N 6.66 3.00 -0.45 0.36 5.65 -1.26 -5.03 115.29 124.22 1d2b s HIS 74 Ca 0.77 -1.04 0.03 0.00 0.25 0.00 0.00 55.06 55.06 1d2b s HIS 74 Cb -0.21 -2.11 0.15 0.00 -1.18 0.00 0.00 32.58 29.23 1d2b s HIS 74 CO 0.33 -0.58 0.30 1.03 -0.65 0.00 0.00 174.74 175.18 1d2b s ARG 75 N 1.46 1.14 -0.49 2.88 0.52 -1.26 -4.98 118.95 118.22 1d2b s ARG 75 Ca 0.05 -2.07 0.06 0.00 -0.52 0.00 0.00 55.73 53.25 1d2b s ARG 75 Cb -0.15 -1.92 0.22 0.00 0.52 0.00 0.00 34.95 33.62 1d2b s ARG 75 CO -0.03 -1.27 0.78 0.43 0.02 0.00 0.00 175.30 175.23 1d2b n SER 76 N 3.19 -2.69 0.00 0.23 7.64 -1.26 -4.99 113.62 115.74 1d2b n SER 76 Ca 0.18 -3.08 0.00 0.00 1.01 0.00 0.00 58.87 56.99 1d2b n SER 76 Cb 0.40 1.47 0.00 0.00 -1.01 0.00 0.00 64.21 65.07 1d2b n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1d2b n HIS 77 N 2.12 0.00 -1.72 1.43 1.44 -1.26 -4.67 115.22 112.56 1d2b n HIS 77 Ca 0.14 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.44 1d2b n HIS 77 Cb 0.59 -0.05 -0.03 0.00 0.12 0.00 0.00 29.99 30.62 1d2b n HIS 77 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1d2b s ASN 78 N -2.02 5.28 0.36 4.39 3.84 -1.26 -4.83 114.94 120.71 1d2b s ASN 78 Ca 0.00 1.43 0.16 0.00 0.21 0.00 0.00 52.86 54.67 1d2b s ASN 78 Cb 0.00 -2.51 0.69 0.00 -0.55 0.00 0.00 41.25 38.88 1d2b s ASN 78 CO 0.00 -2.17 1.76 0.03 -2.79 0.00 0.00 177.10 173.93 1d2b h ARG 79 N 15.68 0.00 -0.36 0.43 3.08 -1.83 -3.15 114.38 128.23 1d2b h ARG 79 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.71 1d2b h ARG 79 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1d2b h ARG 79 CO 1.05 0.41 0.00 -1.13 -1.07 0.00 0.00 179.97 179.22 1d2b n SER 80 N -3.74 2.97 -4.65 7.04 3.41 -1.26 -4.60 113.62 112.79 1d2b n SER 80 Ca -0.01 -1.95 -0.41 0.00 -0.26 0.00 0.00 58.87 56.24 1d2b n SER 80 Cb 0.48 -0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 64.14 1d2b n SER 80 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1d2b s GLU 81 N -1.01 4.20 1.01 4.33 -6.30 -1.19 -5.01 118.70 114.72 1d2b s GLU 81 Ca 0.26 0.83 -0.13 0.00 -2.50 0.00 0.00 54.97 53.43 1d2b s GLU 81 Cb 0.14 -3.62 0.19 0.00 0.00 0.00 0.00 34.13 30.84 1d2b s GLU 81 CO 0.18 -0.41 1.11 -1.21 0.02 0.00 0.00 175.26 174.95 1d2b s GLU 82 N 2.48 0.37 0.33 4.30 0.41 -1.26 -4.03 118.70 121.30 1d2b s GLU 82 Ca 0.33 0.38 -0.16 0.00 -0.41 0.00 0.00 54.97 55.11 1d2b s GLU 82 Cb -0.16 -1.74 0.03 0.00 -1.78 0.00 0.00 34.13 30.48 1d2b s GLU 82 CO 0.09 -2.74 0.71 -0.06 -0.49 0.00 0.00 175.26 172.77 1d2b s PHE 83 N -3.05 0.10 -0.17 1.61 0.08 0.48 -4.42 117.98 112.62 1d2b s PHE 83 Ca 0.66 -0.64 0.01 0.00 0.12 0.00 0.00 56.93 57.08 1d2b s PHE 83 Cb -0.17 0.66 0.01 0.00 -0.57 0.00 0.00 43.02 42.95 1d2b s PHE 83 CO 0.57 -1.36 -0.19 -1.17 -0.10 0.00 0.00 175.22 172.96 1d2b s LEU 84 N -3.02 2.19 -0.26 -0.37 1.98 0.40 -2.16 118.68 117.43 1d2b s LEU 84 Ca 0.16 -0.61 0.01 0.00 -2.89 0.00 0.00 54.13 50.80 1d2b s LEU 84 Cb -0.05 -1.49 0.07 0.00 0.66 0.00 0.00 46.19 45.38 1d2b s LEU 84 CO 0.10 0.03 -0.03 -0.63 -1.89 0.00 0.00 176.35 173.93 1d2b s ILE 85 N 1.13 1.63 -0.33 6.68 -1.09 0.28 -2.29 121.20 127.20 1d2b s ILE 85 Ca 0.01 -1.44 -0.12 0.00 -2.23 0.00 0.00 60.65 56.86 1d2b s ILE 85 Cb -0.14 -1.96 -0.02 0.00 -1.58 0.00 0.00 42.46 38.77 1d2b s ILE 85 CO -0.08 -0.23 0.23 0.00 -1.23 0.00 0.00 174.94 173.63 1d2b s ALA 86 N 1.32 3.49 -0.28 9.38 0.00 -0.17 -0.29 121.76 135.21 1d2b s ALA 86 Ca -0.02 -1.36 -0.25 0.00 0.00 0.00 0.00 51.96 50.33 1d2b s ALA 86 Cb -0.19 -2.63 0.12 0.00 0.00 0.00 0.00 23.12 20.42 1d2b s ALA 86 CO -0.08 -0.93 1.03 0.20 0.00 0.00 0.00 175.76 175.98 1d2b s GLY 87 N 1.72 -0.15 0.98 0.00 0.00 0.55 -4.19 107.32 106.22 1d2b s GLY 87 Ca 0.06 2.66 -0.15 0.00 0.00 0.00 0.00 44.72 47.28 1d2b s GLY 87 CO 0.10 1.80 1.22 0.54 0.00 0.00 0.00 173.10 176.77 1d2b s LYS 88 N 0.18 0.55 -0.22 2.90 3.01 -1.16 0.23 119.74 125.23 1d2b s LYS 88 Ca 0.03 -0.12 -0.03 0.00 -1.01 0.00 0.00 55.97 54.83 1d2b s LYS 88 Cb -0.05 -1.81 -0.00 0.00 -1.01 0.00 0.00 37.83 34.96 1d2b s LYS 88 CO -0.06 -2.52 -0.06 -0.51 0.51 0.00 0.00 175.35 172.72 1d2b s LEU 89 N -6.09 2.87 -0.33 3.17 1.43 -1.26 0.35 118.68 118.83 1d2b s LEU 89 Ca 0.70 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 53.20 1d2b s LEU 89 Cb -0.08 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 1d2b s LEU 89 CO 0.53 -0.03 0.25 -1.10 0.23 0.00 0.00 176.35 176.23 1d2b s GLN 90 N 1.45 3.60 -0.44 1.70 -0.21 0.23 -4.52 119.66 121.45 1d2b s GLN 90 Ca 0.05 -0.54 -0.02 0.00 0.02 0.00 0.00 55.36 54.87 1d2b s GLN 90 Cb -0.14 -3.78 0.02 0.00 1.00 0.00 0.00 33.01 30.11 1d2b s GLN 90 CO -0.04 -0.40 0.06 -0.25 -2.12 0.00 0.00 175.29 172.54 1d2b n ASP 91 N 5.14 -1.92 0.00 5.90 9.92 -1.26 -0.46 116.55 133.87 1d2b n ASP 91 Ca -0.12 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 1d2b n ASP 91 Cb 0.50 -1.73 0.00 0.00 -0.64 0.00 0.00 41.12 39.25 1d2b n ASP 91 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1d2b n GLY 92 N -0.65 0.90 3.34 0.44 0.00 -1.26 -5.11 105.19 102.85 1d2b n GLY 92 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1d2b n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d2b s LEU 93 N 0.00 2.15 0.68 0.99 2.01 0.39 -5.09 118.68 119.81 1d2b s LEU 93 Ca 0.00 -0.57 -0.17 0.00 0.01 0.00 0.00 54.13 53.41 1d2b s LEU 93 Cb 0.00 -1.30 0.01 0.00 0.01 0.00 0.00 46.19 44.91 1d2b s LEU 93 CO 0.00 0.27 1.25 -0.22 1.01 0.00 0.00 176.35 178.66 1d2b s LEU 94 N -1.12 3.46 -0.01 1.79 2.96 -1.25 0.74 118.68 125.25 1d2b s LEU 94 Ca 0.11 2.50 0.01 0.00 -0.22 0.00 0.00 54.13 56.53 1d2b s LEU 94 Cb -0.10 -4.61 0.01 0.00 0.50 0.00 0.00 46.19 41.99 1d2b s LEU 94 CO 0.01 -2.12 -0.02 -1.00 -1.32 0.00 0.00 176.35 171.91 1d2b s HIS 95 N -1.66 0.26 0.02 5.38 3.76 0.16 0.45 115.29 123.66 1d2b s HIS 95 Ca 0.79 -0.03 0.05 0.00 -0.15 0.00 0.00 55.06 55.72 1d2b s HIS 95 Cb -0.34 -0.24 -0.02 0.00 1.11 0.00 0.00 32.58 33.10 1d2b s HIS 95 CO 0.42 -0.05 -0.16 0.42 -0.85 0.00 0.00 174.74 174.52 1d2b s ILE 96 N 0.30 1.27 -0.01 0.60 -1.09 -1.17 -2.99 121.20 118.12 1d2b s ILE 96 Ca -0.03 -0.92 -0.04 0.00 -2.23 0.00 0.00 60.65 57.43 1d2b s ILE 96 Cb -0.05 -1.11 0.00 0.00 -1.58 0.00 0.00 42.46 39.72 1d2b s ILE 96 CO -0.01 0.17 0.09 0.28 -1.23 0.00 0.00 174.94 174.24 1d2b s THR 97 N -0.67 0.06 -1.22 2.92 -1.32 -1.26 -4.36 115.64 109.78 1d2b s THR 97 Ca 0.04 -0.47 0.00 0.00 -1.21 0.00 0.00 61.69 60.06 1d2b s THR 97 Cb -0.07 -0.29 0.00 0.00 -1.51 0.00 0.00 72.50 70.63 1d2b s THR 97 CO 0.01 -0.26 0.85 1.07 -2.21 0.00 0.00 174.62 174.08 1d2b n THR 98 N 2.10 1.43 -1.38 5.08 5.66 -1.26 -0.37 114.28 125.54 1d2b n THR 98 Ca -0.19 0.37 0.01 0.00 -3.05 0.00 0.00 64.05 61.19 1d2b n THR 98 Cb 0.57 -1.37 0.20 0.00 -1.55 0.00 0.00 70.33 68.18 1d2b n THR 98 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1d2b s SER 100 N -2.63 3.25 -0.47 0.00 0.15 0.50 -4.70 113.70 109.80 1d2b s SER 100 Ca 0.42 -0.92 -0.27 0.00 0.70 0.00 0.00 55.95 55.87 1d2b s SER 100 Cb 0.38 -0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.43 1d2b s SER 100 CO -0.00 0.04 1.82 0.12 1.20 0.00 0.00 173.24 176.42 1d2b s PHE 101 N -2.07 1.76 -0.26 3.44 2.19 -1.26 -4.84 117.98 116.94 1d2b s PHE 101 Ca 0.22 0.73 -0.02 0.00 0.33 0.00 0.00 56.93 58.20 1d2b s PHE 101 Cb -0.06 -4.11 0.12 0.00 -1.31 0.00 0.00 43.02 37.67 1d2b s PHE 101 CO 0.10 -2.57 0.28 0.08 1.83 0.00 0.00 175.22 174.95 1d2b s VAL 102 N 7.96 -0.40 0.25 3.12 1.01 -1.26 -1.00 120.40 130.07 1d2b s VAL 102 Ca 0.73 -0.34 -0.21 0.00 0.00 0.00 0.00 61.98 62.17 1d2b s VAL 102 Cb -0.17 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.36 1d2b s VAL 102 CO 0.27 -0.36 0.67 0.00 0.00 0.00 0.00 175.10 175.69 1d2b s ALA 103 N 2.37 -1.23 -0.01 5.51 0.00 -0.97 -5.03 121.76 122.40 1d2b s ALA 103 Ca 0.09 -0.18 -0.35 0.00 0.00 0.00 0.00 51.96 51.52 1d2b s ALA 103 Cb -0.15 0.87 -0.13 0.00 0.00 0.00 0.00 23.12 23.71 1d2b s ALA 103 CO -0.25 -0.97 1.71 -2.30 0.00 0.00 0.00 175.76 173.95 1d2b n PRO 104 N -0.43 1.95 -0.07 0.00 -0.02 -1.26 -0.45 135.00 134.71 1d2b n PRO 104 Ca -0.07 0.71 -0.07 0.00 -2.02 0.00 0.00 63.50 62.05 1d2b n PRO 104 Cb 0.60 -2.49 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 1d2b n PRO 104 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1d2b h TRP 105 N 7.45 -0.57 0.00 6.00 2.91 -1.77 0.22 115.95 130.18 1d2b h TRP 105 Ca -0.47 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.59 1d2b h TRP 105 Cb 1.28 0.29 0.00 0.00 -0.51 0.00 0.00 29.16 30.22 1d2b h TRP 105 CO 0.76 -0.29 0.00 0.09 -1.03 0.00 0.00 178.44 177.96 1d2b n ASN 106 N -5.37 0.00 0.00 2.65 3.02 -1.26 0.13 115.26 114.43 1d2b n ASN 106 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1d2b n ASN 106 Cb 0.28 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 1d2b n ASN 106 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1d2b n SER 107 N 0.28 0.99 -4.89 6.41 7.64 0.75 -5.05 113.62 119.75 1d2b n SER 107 Ca 0.00 -1.19 -0.29 0.00 1.01 0.00 0.00 58.87 58.40 1d2b n SER 107 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1d2b n SER 107 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1d2b s LEU 108 N -0.19 3.90 -0.11 -3.43 1.02 0.34 -5.03 118.68 115.17 1d2b s LEU 108 Ca 0.00 0.93 -0.29 0.00 0.02 0.00 0.00 54.13 54.79 1d2b s LEU 108 Cb 0.00 -3.80 -0.04 0.00 0.02 0.00 0.00 46.19 42.38 1d2b s LEU 108 CO 0.00 -0.34 1.48 -0.44 0.02 0.00 0.00 176.35 177.06 1d2b s SER 109 N -3.29 6.79 0.40 2.29 0.01 -1.26 -4.74 113.70 113.90 1d2b s SER 109 Ca 0.48 1.98 0.34 0.00 1.31 0.00 0.00 55.95 60.06 1d2b s SER 109 Cb -0.10 -2.54 1.15 0.00 0.21 0.00 0.00 66.02 64.75 1d2b s SER 109 CO 0.32 -0.85 1.08 0.00 0.41 0.00 0.00 173.24 174.20 1d2b n LEU 110 N 6.91 0.00 0.08 2.44 -0.00 -1.26 0.61 117.00 125.77 1d2b n LEU 110 Ca 0.16 0.68 -0.21 0.00 -0.00 0.00 0.00 56.01 56.64 1d2b n LEU 110 Cb 0.44 -0.33 -0.15 0.00 -0.00 0.00 0.00 43.42 43.38 1d2b n LEU 110 CO 0.59 -0.68 -0.42 0.00 -0.00 0.00 0.00 177.39 176.88 1d2b h ALA 111 N 0.66 0.16 -0.02 1.47 0.00 -1.99 -3.07 119.26 116.46 1d2b h ALA 111 Ca 0.63 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1d2b h ALA 111 Cb 2.61 0.35 0.00 0.00 0.00 0.00 0.00 17.79 20.75 1d2b h ALA 111 CO -0.01 1.03 0.00 0.94 0.00 0.00 0.00 179.25 181.21 1d2b n GLN 112 N -3.55 1.31 0.07 0.00 -0.06 2.60 0.11 117.38 117.86 1d2b n GLN 112 Ca -0.20 -0.46 -0.23 0.00 -2.00 0.00 0.00 57.00 54.11 1d2b n GLN 112 Cb 1.07 -1.46 -0.15 0.00 -4.06 0.00 0.00 30.24 25.64 1d2b n GLN 112 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 1d2b h ARG 113 N 1.08 0.39 0.01 3.69 9.65 0.41 -2.82 114.38 126.79 1d2b h ARG 113 Ca 0.00 -0.67 -0.00 0.00 -1.10 0.00 0.00 59.98 58.21 1d2b h ARG 113 Cb 0.23 0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 1d2b h ARG 113 CO 0.00 1.32 -0.00 0.07 2.80 0.00 0.00 179.97 184.16 1d2b h ARG 114 N 0.07 -0.01 -0.58 0.20 -0.00 -1.28 -3.31 114.38 109.48 1d2b h ARG 114 Ca -0.34 0.00 0.12 0.00 -0.00 0.00 0.00 59.98 59.76 1d2b h ARG 114 Cb 2.07 0.00 -0.11 0.00 -0.00 0.00 0.00 29.97 31.93 1d2b h ARG 114 CO 0.17 0.64 -0.17 0.78 -0.00 0.00 0.00 179.97 181.39 1d2b h GLY 115 N -0.99 0.35 1.83 0.08 0.00 0.57 2.02 103.07 106.94 1d2b h GLY 115 Ca -0.00 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1d2b h GLY 115 CO 0.00 -0.22 0.05 0.69 0.00 0.00 0.00 176.54 177.05 1d2b n PHE 116 N -5.41 0.18 0.29 5.60 3.72 -1.06 0.46 117.46 121.24 1d2b n PHE 116 Ca 0.06 0.10 0.11 0.00 -0.05 0.00 0.00 57.45 57.67 1d2b n PHE 116 Cb 0.31 -0.61 -0.13 0.00 -0.94 0.00 0.00 39.48 38.11 1d2b n PHE 116 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1d2b n THR 117 N -1.66 0.05 0.00 4.37 5.66 0.65 -4.73 114.28 118.62 1d2b n THR 117 Ca -0.00 -0.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 1d2b n THR 117 Cb 0.06 0.23 0.00 0.00 -1.55 0.00 0.00 70.33 69.06 1d2b n THR 117 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1d2b n LYS 118 N -2.08 0.01 -0.02 1.09 2.85 0.63 -4.98 118.16 115.66 1d2b n LYS 118 Ca -0.01 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.13 1d2b n LYS 118 Cb 0.50 -0.52 -0.07 0.00 -0.65 0.00 0.00 35.03 34.30 1d2b n LYS 118 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1d2b h THR 119 N 0.00 1.20 -0.29 0.58 1.35 1.00 -3.31 112.91 113.44 1d2b h THR 119 Ca 0.00 -0.63 -0.05 0.00 -0.55 0.00 0.00 66.41 65.19 1d2b h THR 119 Cb 0.04 1.43 -0.03 0.00 -1.73 0.00 0.00 68.15 67.86 1d2b h THR 119 CO 0.00 0.18 0.06 -1.22 -0.25 0.00 0.00 175.52 174.29 1d2b n TYR 120 N -4.87 1.00 -0.08 4.73 4.02 -1.13 -0.56 117.16 120.28 1d2b n TYR 120 Ca -0.06 -0.48 -0.16 0.00 -0.01 0.00 0.00 57.90 57.19 1d2b n TYR 120 Cb 0.16 -0.34 -0.14 0.00 -0.02 0.00 0.00 39.34 39.00 1d2b n TYR 120 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 1d2b n THR 121 N 0.17 1.55 0.00 -0.72 5.66 -1.25 -3.92 114.28 115.76 1d2b n THR 121 Ca 0.15 -0.69 0.00 0.00 -3.05 0.00 0.00 64.05 60.46 1d2b n THR 121 Cb 0.74 -1.21 0.00 0.00 -1.55 0.00 0.00 70.33 68.31 1d2b n THR 121 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1d2b n VAL 122 N -3.16 0.00 -1.81 1.08 0.31 -1.25 -4.77 118.33 108.74 1d2b n VAL 122 Ca -0.36 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1d2b n VAL 122 Cb 1.05 -0.11 0.15 0.00 -0.91 0.00 0.00 33.84 34.02 1d2b n VAL 122 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1d2b n GLY 123 N 2.41 4.81 3.26 2.92 0.00 0.28 -4.93 105.19 113.93 1d2b n GLY 123 Ca 0.00 -1.49 -0.23 0.00 0.00 0.00 0.00 46.02 44.30 1d2b n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2b n GLU 125 N 6.52 2.92 0.00 0.00 0.28 -1.26 -4.21 120.64 124.89 1d2b n GLU 125 Ca 0.24 -4.00 0.08 0.00 -0.16 0.00 0.00 57.16 53.33 1d2b n GLU 125 Cb 0.22 -2.02 0.07 0.00 1.43 0.00 0.00 31.44 31.14 1d2b n GLU 125 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36